SCHEMBL1707612

SCHEMBL1707612

Cc1nc(C(F)(F)F)ccc1Cn1nc(NNC(=O)CCl)c(-c2ccc(Cl)cc2)c(-c2ccc(C#N)cc2)c1=O

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 20/20 0.61
CYP2C9 P11712 5/20 0.49
CYP2C19 P33261 5/20 0.49
CYP3A4 P08684 5/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4390808 0.94 CNR1 (0.63) CNR1CYP2C9CYP2C19CYP3A4
SCHEMBL1706666 0.92 CNR1 (0.59) CNR1CYP2C9CYP2C19CYP3A4
SCHEMBL1707291 0.92 CNR1 (0.58) CNR1CYP2C9CYP2C19CYP3A4
SCHEMBL1708396 0.88 CNR1 (0.55) CNR1CYP2C9CYP2C19CYP3A4
SCHEMBL12191448 0.88 CNR1 (0.48) CNR1CYP2C9CYP2C19CYP3A4
SCHEMBL1707014 0.87 CNR1 (0.64) CNR1CYP2C9CYP2C19CYP3A4
SCHEMBL1756047 0.84 CNR1 (0.56) CNR1CYP2C9CYP2C19CYP3A4
SCHEMBL1708384 0.84 CNR1 (0.54) CNR1CYP2C9CYP2C19CYP3A4
SCHEMBL1706937 0.84 CNR1 (0.54) CNR1CYP2C9CYP2C19CYP3A4
SCHEMBL1706936 0.84 CNR1 (0.54) CNR1CYP2C9CYP2C19CYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2094705-B1 AZABICYCLIC HETEROCYCLES AS CANNABINOID RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2012-04-18 EP disclosed
EP-2094705-B1 AZABICYCLIC HETEROCYCLES AS CANNABINOID RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2012-04-18 EP disclosed
US-8030306-B2 Azabicyclic heterocycles as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-04 US disclosed
US-20100029656-A1 AZABICYCLIC HETEROCYCLES AS CANNABINOID RECEPTOR MODULATORS BRISTOL-MEYERS SQUIBB COMPANY 2010-02-04 US disclosed
WO-2008076810-A9 AZABICYCLIC HETEROCYCLES AS CANNABINOID RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2009-07-30 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100029656-A1 AZABICYCLIC HETEROCYCLES AS CANNABINOID RECEPTOR MODULATORS CNR1, CNR2, ARRB1 CNR1 1/4885CYP2C9 746/4885CYP2C19 395/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.